1-pentan-2-ylpiperidin-4-one

C10H19NO — CID 24698621

IUPAC1-pentan-2-ylpiperidin-4-one
SMILESCCCC(C)N1CCC(=O)CC1
InChIInChI=1S/C10H19NO/c1-3-4-9(2)11-7-5-10(12)6-8-11/h9H,3-8H2,1-2H3
InChIKeyUZWUQDAFMNEOLC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.84
Rot. Bonds3

About 1-pentan-2-ylpiperidin-4-one

1-pentan-2-ylpiperidin-4-one (PubChem CID 24698621) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-pentan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name1-pentan-2-ylpiperidin-4-one
PubChem CID24698621
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-pentan-2-ylpiperidin-4-one
SMILESCCCC(C)N1CCC(=O)CC1
InChIInChI=1S/C10H19NO/c1-3-4-9(2)11-7-5-10(12)6-8-11/h9H,3-8H2,1-2H3
InChIKeyUZWUQDAFMNEOLC-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylpiperidin-4-one?
The IUPAC name of 1-pentan-2-ylpiperidin-4-one (CID 24698621) is 1-pentan-2-ylpiperidin-4-one.
What is the SMILES notation for 1-pentan-2-ylpiperidin-4-one?
The canonical SMILES for 1-pentan-2-ylpiperidin-4-one is CCCC(C)N1CCC(=O)CC1.
What is the InChIKey of 1-pentan-2-ylpiperidin-4-one?
The InChIKey is UZWUQDAFMNEOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-9(2)11-7-5-10(12)6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-pentan-2-ylpiperidin-4-one?
1-pentan-2-ylpiperidin-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylpiperidin-4-one is sourced from PubChem (CID 24698621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).